Irene Shim

Irene Shim

Associate Professor

DTU CHEMISTRY
Department of Chemistry

Kemi: Faculty
Physical and Biophysical Chemnistry: Theoretical, Computational and Femtochemistry

Technical University of Denmark

Building 206, room 229

Ph.
Fax +45 45 88 31 36
E-mail shim@kemi.dtu.dk
ORCID 0000-0002-6584-5800
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2017
  PDF

Ab Initio Assessment of the Bonding in Disulfonates Containing Divalent Nitrogen and Phosphorus Atoms

Andersen, Vinca Bonde ; Berg, Rolf W. ; Shim, Irene
in: ACS Omega, vol: 2, issue: 8, pages: 4447-4455

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1021/acsomega.7b00266

  PDF

Electronic Structures of LNA Phosphorothioate Oligonucleotides

Bohr, Henrik G. ; Shim, Irene ; Stein, Cy ; Ørum, Henrik ; Hansen, Henrik F. ; Koch, Troels
in: Molecular Therapy-Nucleic Acids, vol: 8, pages: 428-441

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: https://doi.org/10.1016/j.omtn.2017.05.011

2014
  PDF

Quantum Mechanical Studies of DNA and LNA

Koch, Troels ; Shim, Irene ; Lindow, Morten ; Orum, Henrik ; Bohr, Henrik G.
in: Nucleic Acid Therapeutics, vol: 24, issue: 2, pages: 139-148

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2014     |    DOI: https://doi.org/10.1089/nat.2013.0465

2012
 

Raman Optical Activity and Raman Spectra of Amphetamine Species

Berg, Rolf W. ; Shim, Irene ; White, Peter Cyril ; Abdali, Salim
in: American Journal of Analytical Chemistry, vol: 3, pages: 410-412

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2012     |    DOI: https://doi.org/10.4236/ajac.2012.36054

2010
 

An ab initio study of the mechanisms of the di- and tri-merization of thiocarbonyl compounds resulting in cyclic oligomers

Krantz, K. E. ; Senning, Alexander Erich Eugen ; Shim, Irene
in: Journal of Molecular Structure: THEOCHEM, vol: 944, issue: 1-3, pages: 83-88

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2010     |    DOI: https://doi.org/10.1016/j.theochem.2009.12.025

2009
 

Structures of strontium diformate and strontium fumarate. A synchrotron powder diffraction study

Stahl, K. ; Andersen, Jens Enevold Thaulov ; Shim, Irene ; Christgau, S.
in: Acta Crystallographica. Section B: Structural Science, vol: 65, pages: 481-487

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2009     |    DOI: https://doi.org/10.1107/S0108768109023489

2005
 

Raman and ab initio studies of simple and binary 1-alkyl-3-methylimidazolium ionic liquids

Berg, R.W. ; Deetlefs, M. ; Seddon, K.R. ; Shim, Irene ; Thompson, J.M.
in: Journal of Physical Chemistry B, vol: 109, issue: 40, pages: 19018-19025

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2005

2004
2003
 

Ab Initio Investigations of the C2F4S Isomers and of Their Interconversions

Shim, Irene ; Vallano-Lorenzo, Sandra ; Lisbona-Martin, Pilar ; Senning, Alexander
in: Journal of Fluorine Chemistry, vol: 124, issue: 1, pages: 99-104

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2003